tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate

C11H18FNO3 — CID 162786276

IUPACtert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C1CC=CF
InChIInChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-7-9(14)8(13)5-4-6-12/h4,6,8-9,14H,5,7H2,1-3H3
InChIKeyLHEMILAXGGHRDU-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate

tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate (PubChem CID 162786276) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate
PubChem CID162786276
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nametert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C1CC=CF
InChIInChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-7-9(14)8(13)5-4-6-12/h4,6,8-9,14H,5,7H2,1-3H3
InChIKeyLHEMILAXGGHRDU-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 23628358
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45101555
tert-Butyl (2R,3R)-3-hydroxy-2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 68396850
tert-butyl (2R,3S)-3-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 68396857
tert-butyl (2S,4R)-2-ethenyl-4-hydroxypyrrolidine-1-carboxylate
CID 130924314
tert-butyl (2R,4S)-2-ethenyl-4-hydroxypyrrolidine-1-carboxylate
CID 137473146
(3S)-3-hydroxy-2-prop-2-enylazetidine-1-carboxylic acid
CID 176037159
tert-butyl (3S)-3-hydroxy-2-prop-2-enylazetidine-1-carboxylate
CID 176037174
Tert-butyl 3-(hydroxymethyl)-2-prop-2-enylazetidine-1-carboxylate
CID 176262966
cis-1-Boc-2-hydroxymethyl-4-vinyl-azetidine
CID 155920935
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-prop-2-enylazetidine-1-carboxylate
CID 163338223
Tert-butyl 2-(1-hydroxybut-3-en-1-yl)azetidine-1-carboxylate
CID 165901639

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate (CID 162786276) is tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)C1CC=CF.
What is the InChIKey of tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate?
The InChIKey is LHEMILAXGGHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-7-9(14)8(13)5-4-6-12/h4,6,8-9,14H,5,7H2,1-3H3.
What are the key properties of tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate?
tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate has a molecular weight of 231.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 162786276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).